Prediction of Physicochemical, Pharmacokinetic and Toxicological Parameters of Antimicrobials in Phase III Clinical Studies

In silico analysis importance was recognized. It provides a predictive evaluation of the molecular behavior, revealing physicochemical properties and pharmacokinetic and toxicological informations that determine how much promising is a molecule to advance to other pharmaceutical tests. Therefore, this work aimed to present the traditional antimicrobials in phase III clinical studies, attaching, through in silico analysis, their pharmacokinetics, adverse effects and toxicity to their molecular structure and physicochemical properties. Traditional antimicrobials were selected and submited to molecular prediction on the ADMETlab 2.0© platform. The data were exposed into charts and discussed according to informations avaliable in the scientific literature. It was noticed that the physicochemical profile was crucial to the absorption, the distribution, the excretion and the toxicity of the evaluated molecules, which were promising in some aspects but controversial in others, with the nafithromycin presenting the best results. Thus it can be affirmed that the in silico studies are not discouraging indeed and they must be considered with good eyes so that all the caracteristics of a potential molecule can be analyzed in order to the studies advance to the next steps properly.